title: Ring-enlargement reactions of donor-acceptor-substituted cyclopropanes: which combinations are most efficient?
abstract: A detailed theoretical study of ring-enlargement reactions of 72 differently substituted donor-acceptor-substituted cyclopropanes is presented. Transition states, activation barriers, and, for representative examples, the behavior in solution were additionally determined using the B3LYP/6-311G(d) level of theory.
authors.affiliation: Institut für Organische und Biomolekulare Chemie der Georg-August-Universität Göttingen, Tammannstr. 2, D-37077 Göttingen, Germany.
authors.forename: Tobias F
authors.initials: TF
authors.lastname: Schneider
authors.forename: Daniel B
authors.initials: DB
authors.lastname: Werz
mesh_terms: D003521:Cyclopropanes / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D013237:Stereoisomerism
chemical_list: D003521:Cyclopropanes